⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL392942 | 0.75 | — | — | |
| SCHEMBL1193 | 0.73 | — | — | |
| SCHEMBL18018692 | 0.73 | ALDH1A1 (0.46) | — | |
| SCHEMBL27279814 | 0.73 | — | — | |
| SCHEMBL1750672 | 0.73 | — | — | |
| SCHEMBL9912431 | 0.71 | — | — | |
| SCHEMBL4088252 | 0.71 | — | — | |
| SCHEMBL20726028 | 0.71 | — | — | |
| SCHEMBL29039509 | 0.71 | — | — | |
| SCHEMBL27290461 | 0.71 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115466227-B | Preparation method of 3- (chloromethyl) -1-methyl-1H-1, 2, 4-triazole hydrochloride | 杭州国瑞生物科技有限公司 | 2024-07-19 | — | — | CN | disclosed |
| US-20040167193-A1 | Difluoromethyltriazolone compounds, use of the same and intermediates for the production thereof | SUMITOMO CHEMICAL COMPANY, LIMITED | 2004-08-26 | — | — | US | disclosed |
| US-6762197-B2 | FUNGICIDES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2004-07-13 | — | — | US | disclosed |
| US-20030119670-A1 | Difluoromethyltriazolone compounds, use of the same and intermediates for the production thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2003-06-26 | — | — | US | disclosed |
| EP-1238975-A1 | DIFLUOROMETHYLTRIAZOLONE COMPOUNDS, USE OF THE SAME AND INTERMEDIATES FOR THE PRODUCTION THEREOF | Sumitomo Chemical Company, Limited (JP) | 2002-09-11 | — | — | EP | disclosed |